6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-iodo-2-methoxyphenyl)methanone

C15H13IO2S2 — CID 81270140

IUPAC6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-iodo-2-methoxyphenyl)methanone
SMILESCOc1ccc(I)cc1C(=O)c1cc2c(s1)CCSC2
InChIInChI=1S/C15H13IO2S2/c1-18-12-3-2-10(16)7-11(12)15(17)14-6-9-8-19-5-4-13(9)20-14/h2-3,6-7H,4-5,8H2,1H3
InChIKeyNPXHTDDLVSHCJC-UHFFFAOYSA-N
MW416.31 g/mol
LogP4.38
Rot. Bonds3

About 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-iodo-2-methoxyphenyl)methanone

6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-iodo-2-methoxyphenyl)methanone (PubChem CID 81270140) has the molecular formula C15H13IO2S2 and a molecular weight of 416.31 g/mol. Its IUPAC name is 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-iodo-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-iodo-2-methoxyphenyl)methanone
PubChem CID81270140
Molecular FormulaC15H13IO2S2
Molecular Weight416.31 g/mol
Exact Mass415.94
IUPAC Name6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-iodo-2-methoxyphenyl)methanone
SMILESCOc1ccc(I)cc1C(=O)c1cc2c(s1)CCSC2
InChIInChI=1S/C15H13IO2S2/c1-18-12-3-2-10(16)7-11(12)15(17)14-6-9-8-19-5-4-13(9)20-14/h2-3,6-7H,4-5,8H2,1H3
InChIKeyNPXHTDDLVSHCJC-UHFFFAOYSA-N
XLogP4.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.31
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-iodo-2-methoxyphenyl)methanone with MolForge

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Related Compounds

(4,5-dimethylthiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone
CID 65237438
(4,5-dibromothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone
CID 80536150
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3,4-dimethylphenyl)methanone
CID 81260815
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-methoxyethanone
CID 115783386
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(6-methyl-1H-indol-3-yl)methanone
CID 81265923
(3-bromo-4-ethoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone
CID 104656925
(4-aminophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone
CID 81261881
(5-iodo-2-methoxyphenyl)-phenylmethanone
CID 43161664
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-ethylthiophen-2-yl)methanone
CID 81269669
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-ethylphenyl)methanone
CID 81268783
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl chloride
CID 81260755
(5-iodo-2-methoxyphenyl)-(4-iodophenyl)methanone
CID 43339710

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-iodo-2-methoxyphenyl)methanone?
The IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-iodo-2-methoxyphenyl)methanone (CID 81270140) is 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-iodo-2-methoxyphenyl)methanone.
What is the SMILES notation for 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-iodo-2-methoxyphenyl)methanone?
The canonical SMILES for 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-iodo-2-methoxyphenyl)methanone is COc1ccc(I)cc1C(=O)c1cc2c(s1)CCSC2.
What is the InChIKey of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-iodo-2-methoxyphenyl)methanone?
The InChIKey is NPXHTDDLVSHCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IO2S2/c1-18-12-3-2-10(16)7-11(12)15(17)14-6-9-8-19-5-4-13(9)20-14/h2-3,6-7H,4-5,8H2,1H3.
What are the key properties of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-iodo-2-methoxyphenyl)methanone?
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-iodo-2-methoxyphenyl)methanone has a molecular weight of 416.31 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-iodo-2-methoxyphenyl)methanone is sourced from PubChem (CID 81270140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).